[2,6-Dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbutanoate
| Internal ID | eae736ee-ef7c-46a2-985f-dbdb63a5d15a |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones |
| IUPAC Name | [2,6-dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H22O6/c1-4-13(2)21(25)27-20-16(23)12-17(26-3)18(19(20)24)15(22)11-10-14-8-6-5-7-9-14/h5-13,23-24H,4H2,1-3H3 |
| InChI Key | ZYWRDXVAUPKYLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [2,6-Dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/26-dihydroxy-4-methoxy-3-3-phenylprop-2-enoylphenyl-2-methylbutanoate.jpg "2D Structure of [2,6-Dihydroxy-4-methoxy-3-(3-phenylprop-2-enoyl)phenyl] 2-methylbutanoate")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.03% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.60% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 96.16% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.66% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.00% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.88% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.30% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.57% | 99.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.57% | 100.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.54% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.42% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.16% | 93.99% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.74% | 91.71% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.37% | 89.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.90% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.63% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.25% | 94.73% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.16% | 98.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.71% | 90.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
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| There are no matching plants. |
| PubChem | 73200209 |
| LOTUS | LTS0018161 |
| wikiData | Q105386490 |